1-(3-amino-1H-pyrazol-5-yl)propan-1-one

C6H9N3O — CID 143337628

IUPAC1-(3-amino-1H-pyrazol-5-yl)propan-1-one
SMILESCCC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C6H9N3O/c1-2-5(10)4-3-6(7)9-8-4/h3H,2H2,1H3,(H3,7,8,9)
InChIKeyXIKDLBOEGKIVRU-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.58
Rot. Bonds2

About 1-(3-amino-1H-pyrazol-5-yl)propan-1-one

1-(3-amino-1H-pyrazol-5-yl)propan-1-one (PubChem CID 143337628) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-(3-amino-1H-pyrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-1H-pyrazol-5-yl)propan-1-one
PubChem CID143337628
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-(3-amino-1H-pyrazol-5-yl)propan-1-one
SMILESCCC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C6H9N3O/c1-2-5(10)4-3-6(7)9-8-4/h3H,2H2,1H3,(H3,7,8,9)
InChIKeyXIKDLBOEGKIVRU-UHFFFAOYSA-N
XLogP0.58
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-pyrazol-5-yl)propan-1-one?
The IUPAC name of 1-(3-amino-1H-pyrazol-5-yl)propan-1-one (CID 143337628) is 1-(3-amino-1H-pyrazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(3-amino-1H-pyrazol-5-yl)propan-1-one?
The canonical SMILES for 1-(3-amino-1H-pyrazol-5-yl)propan-1-one is CCC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 1-(3-amino-1H-pyrazol-5-yl)propan-1-one?
The InChIKey is XIKDLBOEGKIVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-5(10)4-3-6(7)9-8-4/h3H,2H2,1H3,(H3,7,8,9).
What are the key properties of 1-(3-amino-1H-pyrazol-5-yl)propan-1-one?
1-(3-amino-1H-pyrazol-5-yl)propan-1-one has a molecular weight of 139.16 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-pyrazol-5-yl)propan-1-one is sourced from PubChem (CID 143337628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).